HRID139376

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID22831706

未命名化合物

HCID45157108

2-(Piperidin-3-yl)propan-2-ol

C8H17NO

PRODUCTS

生成物

结构：Cc1ccc(-c2oncc2C(=O)N2CCCC(C(C)(C)O)C2)cc1

HCID59170073

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-793182c2d27949498560b027b7d0ca32
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[B-:12]([F:13])([F:14])([F:15])[F:16].[CH2:34]([N:35]([CH:36]([CH3:37])[CH3:38])[CH:39]([CH3:40])[CH3:41])[CH3:42].[CH3:43][c:44]1[cH:45][cH:46][c:47](-[c:50]2[c:51]([C:55](=[O:56])[OH:57])[cH:52][n:53][o:54]2)[cH:48][cH:49]1.[ClH:1].[NH:2]1[CH2:3][CH:4]([C:8]([CH3:9])([CH3:10])[OH:11])[CH2:5][CH2:6][CH2:7]1.[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[n:17]1([O:18][C:19]([N:20]([CH3:21])[CH3:22])=[N+:23]([CH3:24])[CH3:25])[c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]2[n:32][n:33]1>>[N:2]1([C:55]([c:51]2[c:50](-[c:47]3[cH:46][cH:45][c:44]([CH3:43])[cH:49][cH:48]3)[o:54][n:53][cH:52]2)=[O:56])[CH2:3][CH:4]([C:8]([CH3:9])([CH3:10])[OH:11])[CH2:5][CH2:6][CH2:7]1